ssbond and file open error exception
authorCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 13 Sep 2017 14:21:04 +0000 (16:21 +0200)
committerCezary Czaplewski <czarek@chem.univ.gda.pl>
Wed, 13 Sep 2017 14:21:04 +0000 (16:21 +0200)
django_simple/todo/jobfiles.py
django_simple/todo/views.py

index 856c22e..f28e4e0 100644 (file)
@@ -14,17 +14,18 @@ logging.basicConfig()
 logger = logging.getLogger(__name__)
 
 def write_ssbond(ssbond):
-     list=[]
+   list=[]
+   if ssbond!='':
      ssbond=json.loads(ssbond)
      for e in ssbond:
            list.append(e[0])
            list.append(e[1])
      list_sorted=sorted(list)
      
-     if len(list)>0:
+   if len(list)>0:
        return str(len(list))+' '+' '.join(map(str,list_sorted))+'\n'+\
             str(len(ssbond))+' '+' '.join(map(str,list))+'\n'
-     else: 
+   else: 
        return '0\n'
 
 
index 4f3b4e5..17c0028 100644 (file)
@@ -453,6 +453,7 @@ def refresh_done(request):
          if task.md_pdbref and task.type=='remd':
          
           for i in range(1,6):
+           try:
             with open(task.jobdirname+'/file_wham_T'+str(int(task.remd_cluter_temp))+'K_000'+str(i)+'.pdb', 'r') as f:
                  line=f.readline()
                  if i==1:
@@ -465,7 +466,8 @@ def refresh_done(request):
                      task.remd_model4=' '.join(line.split()[-6:])
                  elif i==5:
                      task.remd_model5=' '.join(line.split()[-6:])
-
+           except EnvironmentError:
+            print 'file_wham_T*pdb open error'
           for i in range(1,6):
             with open(task.jobdirname+'/tmscore'+str(i)+'.out', 'r') as f:
                text=''